[2-fluoranyl-6-(trifluoromethyl)phenyl]methyl 4-[(2-tert-butylsulfanylphenyl)methyl]piperazine-1-carboxylate

Systemtic Name: [2-fluoranyl-6-(trifluoromethyl)phenyl]methyl 4-[(2-tert-butylsulfanylphenyl)methyl]piperazine-1-carboxylate Openeye Name: [2-fluoro-6-(trifluoromethyl)phenyl]methyl 4-[(2-tert-butylsulfanylphenyl)methyl]piperazine-1-carboxylate CAS Name: 4-[[2-(tert-butylthio)phenyl]methyl]-1-piperazinecarboxylic acid [2-fluoro-6-(trifluoromethyl)phenyl]methyl ester IUPAC Name: [2-fluoro-6-(trifluoromethyl)phenyl]methyl 4-[(2-tert-butylsulfanylphenyl)methyl]piperazine-1-carboxylate Traditional Name: 4-[2-(tert-butylthio)benzyl]piperazine-1-carboxylic acid [2-fluoro-6-(trifluoromethyl)benzyl] ester Formula: C24H28F4N2O2S MolecularWeight: 484.549933

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)SC1=CC=CC=C1CN2CCN(CC2)C(=O)OCC3=C(C=CC=C3F)C(F)(F)F

Isomeric SMILES

CC(C)(C)SC1=CC=CC=C1CN2CCN(CC2)C(=O)OCC3=C(C=CC=C3F)C(F)(F)F

InChI

InChI=1S/C24H28F4N2O2S/c1-23(2,3)33-21-10-5-4-7-17(21)15-29-11-13-30(14-12-29)22(31)32-16-18-19(24(26,27)28)8-6-9-20(18)25/h4-10H,11-16H2,1-3H3